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Acta Cryst. (2014). E70, o74  [ doi:10.1107/S1600536813033448 ]

4,4-Di­fluoro-2,3;5,6-bis­(tetra­methylene)-4-bora-3a,4a-di­aza-s-indacene (LD540)

K. Salorinne, T.-R. Tero and T. Lahtinen


Key indicators

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Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5795 PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6].. 63.31 Deg. PLAT480_ALERT_4_C Long H...A H-Bond Reported H23B .. F3 .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8B .. F2 .. 2.56 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.188 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.579 50 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 9 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 47 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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